phenyl N-(4-pentylphenyl)carbamate

C18H21NO2 — CID 60630597

IUPACphenyl N-(4-pentylphenyl)carbamate
SMILESCCCCCc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-2-3-5-8-15-11-13-16(14-12-15)19-18(20)21-17-9-6-4-7-10-17/h4,6-7,9-14H,2-3,5,8H2,1H3,(H,19,20)
InChIKeyHREGSQGYVVAXKQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.03
Rot. Bonds6

About phenyl N-(4-pentylphenyl)carbamate

phenyl N-(4-pentylphenyl)carbamate (PubChem CID 60630597) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is phenyl N-(4-pentylphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-pentylphenyl)carbamate
PubChem CID60630597
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namephenyl N-(4-pentylphenyl)carbamate
SMILESCCCCCc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-2-3-5-8-15-11-13-16(14-12-15)19-18(20)21-17-9-6-4-7-10-17/h4,6-7,9-14H,2-3,5,8H2,1H3,(H,19,20)
InChIKeyHREGSQGYVVAXKQ-UHFFFAOYSA-N
XLogP5.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-pentylphenyl)carbamate?
The IUPAC name of phenyl N-(4-pentylphenyl)carbamate (CID 60630597) is phenyl N-(4-pentylphenyl)carbamate.
What is the SMILES notation for phenyl N-(4-pentylphenyl)carbamate?
The canonical SMILES for phenyl N-(4-pentylphenyl)carbamate is CCCCCc1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-(4-pentylphenyl)carbamate?
The InChIKey is HREGSQGYVVAXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-3-5-8-15-11-13-16(14-12-15)19-18(20)21-17-9-6-4-7-10-17/h4,6-7,9-14H,2-3,5,8H2,1H3,(H,19,20).
What are the key properties of phenyl N-(4-pentylphenyl)carbamate?
phenyl N-(4-pentylphenyl)carbamate has a molecular weight of 283.37 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-pentylphenyl)carbamate is sourced from PubChem (CID 60630597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).